1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate

C20H38N4O3 — CID 134346392

IUPAC1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate
SMILESCC(CO)OC(=O)NCCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C20H38N4O3/c1-16(15-25)27-20(26)22-14-8-13-21-19(23-17-9-4-2-5-10-17)24-18-11-6-3-7-12-18/h16-18,25H,2-15H2,1H3,(H,22,26)(H2,21,23,24)
InChIKeyIPLIDMWKAAZODV-UHFFFAOYSA-N
MW382.55 g/mol
LogP2.68
Rot. Bonds8

About 1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate

1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate (PubChem CID 134346392) has the molecular formula C20H38N4O3 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate.

Molecular Properties

Compound Name1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate
PubChem CID134346392
Molecular FormulaC20H38N4O3
Molecular Weight382.55 g/mol
Exact Mass382.29
IUPAC Name1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate
SMILESCC(CO)OC(=O)NCCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C20H38N4O3/c1-16(15-25)27-20(26)22-14-8-13-21-19(23-17-9-4-2-5-10-17)24-18-11-6-3-7-12-18/h16-18,25H,2-15H2,1H3,(H,22,26)(H2,21,23,24)
InChIKeyIPLIDMWKAAZODV-UHFFFAOYSA-N
XLogP2.68
TPSA94.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[[(cyclohexylamino)-(ethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 110959324
2-[3-[bis(cyclohexylamino)methylideneamino]propyl]-1,3-dicyclohexylguanidine
CID 20762626
(Z)-3-[3-[bis(cyclohexylamino)methylideneamino]propylamino]-N,N-diethylbut-2-enamide
CID 122691224
1,3-dicyclohexyl-2-pentylguanidine
CID 118030780
1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine
CID 122691164
propan-2-yl 3-[[(cyclohexylamino)-(ethylamino)methylidene]amino]propanoate
CID 110958213
tert-butyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]carbamate
CID 110992747
1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine
CID 176523791
1-bromopropan-2-yl N-cyclohexylcarbamate
CID 103970804
1,3-dicyclohexyl-2-octylguanidine;hydrochloride
CID 14771737
1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine
CID 129246032
1-cyclohexylethyl N-nonylcarbamate
CID 123611049

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate?
The IUPAC name of 1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate (CID 134346392) is 1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate.
What is the SMILES notation for 1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate?
The canonical SMILES for 1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate is CC(CO)OC(=O)NCCCN=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate?
The InChIKey is IPLIDMWKAAZODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O3/c1-16(15-25)27-20(26)22-14-8-13-21-19(23-17-9-4-2-5-10-17)24-18-11-6-3-7-12-18/h16-18,25H,2-15H2,1H3,(H,22,26)(H2,21,23,24).
What are the key properties of 1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate?
1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate has a molecular weight of 382.55 g/mol, XLogP of 2.68, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate is sourced from PubChem (CID 134346392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).